SCHEMBL8100690

SCHEMBL8100690

O=C(NCc1cccnc1)Oc1ccc2cc(C(=O)O)ccc2c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.65
GAA P10253 1/20 0.54
POLB P06746 1/20 0.54
HPGD P15428 1/20 0.54
NAMPT P43490 3/20 0.53
LMNA P02545 2/20 0.52
MAPK1 P28482 1/20 0.52
MMP13 P45452 1/20 0.51
TSHR P16473 1/20 0.50
ACHE P22303 1/20 0.49
FAAH O00519 1/20 0.49
USP2 O75604 2/20 0.48
ALDH1A1 P00352 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RECQL P46063 2/20 0.48
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8102261 0.89 EPHX1 (0.59) EPHX1GAAPOLBHPGDNAMPT
SCHEMBL29881595 0.81 EPHX1 (0.79) EPHX1HPGDNAMPTLMNAFAAH
SCHEMBL3430736 0.81 EPHX1 (0.79) EPHX1HPGDNAMPTLMNAFAAH
SCHEMBL4189515 0.79 EPHX1 (1.00) EPHX1NAMPTLMNAHTTSMN1; SMN2
SCHEMBL27687099 0.76 EPHX1 (0.70) EPHX1GAAHPGDNAMPTLMNA
SCHEMBL2410964 0.76 HDAC1 (0.70) EPHX1NAMPTHTTSMN1; SMN2
SCHEMBL31323132 0.76 NPC1 (0.59) EPHX1FAAHALDH1A1
SCHEMBL14470496 0.76 NPC1 (0.59) EPHX1FAAHALDH1A1
SCHEMBL10627493 0.75 TBXAS1 (0.54) GAAALDH1A1
SCHEMBL6944020 0.75 PKM (0.66) GAAHPGDNAMPTLMNAMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0810206-B1 Substituted 2-naphthoylguanidines, process for their preparation, their use as medicament or diagnostic agent and medicament containing them HOECHST AG (DE) 2000-12-27 EP disclosed
EP-0810206-A1 Substituted 2-naphtoylguanidines, process for their preparation, their use as medicament or diagnostic agent and medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-03 EP disclosed